Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.69 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.69 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.69 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18064949 | 0.86 | MCL1 (0.73) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL28125540 | 0.85 | MCL1 (0.71) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL28613060 | 0.82 | MCL1 (0.68) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL29643990 | 0.82 | MCL1 (0.68) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL31734120 | 0.82 | HDAC3 (1.00) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL18064956 | 0.82 | HDAC3 (1.00) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL21595522 | 0.82 | HDAC3 (0.74) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL30763162 | 0.82 | HDAC3 (0.74) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL14825158 | 0.82 | MCL1 (0.71) | MCL1ALDH1A1ALOX15MAPTHDAC3 | |
| SCHEMBL30127947 | 0.81 | MCL1 (0.61) | MCL1ALDH1A1ALOX15MAPTHDAC3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109232533-A | Nitrogen heterocycles derivative, preparation method and its medical usage | 北京越之康泰生物医药科技有限公司 | 2019-01-18 | — | — | CN | disclosed |